1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea

C12H12N4O2S — CID 2744059

IUPAC1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea
SMILESCc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C12H12N4O2S/c1-8-13-10(7-19-8)11(17)15-16-12(18)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H2,14,16,18)
InChIKeyJNGJSFPPQUUNHG-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.92
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea

1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea (PubChem CID 2744059) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea
PubChem CID2744059
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea
SMILESCc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C12H12N4O2S/c1-8-13-10(7-19-8)11(17)15-16-12(18)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H2,14,16,18)
InChIKeyJNGJSFPPQUUNHG-UHFFFAOYSA-N
XLogP1.92
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea (CID 2744059) is 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea is Cc1nc(C(=O)NNC(=O)Nc2ccccc2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea?
The InChIKey is JNGJSFPPQUUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-13-10(7-19-8)11(17)15-16-12(18)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea?
1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea has a molecular weight of 276.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-3-phenylurea is sourced from PubChem (CID 2744059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).